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Compound Detail

CHEMBL22449

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CN(CC1CCc2nc(N)nc(O)c2C1)c1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL22449
Phase Preclinical
Structure Type MOL
InChI Key FGBKOEKVIMAPJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
1.70
ALogP
6
HBA
3
HBD
112.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4O3
MW 328.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
3599032 10.1021/jm00390a025 Enterococcus faecium 2
3599032 10.1021/jm00390a025 Lacticaseibacillus casei 2
3599032 10.1021/jm00390a025 Dihydrofolate reductase 1
3599032 10.1021/jm00390a025 Thymidylate synthase 1

Data from ChEMBL 36 via Core Engine